Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.
Compound
| ID: | 290 | |
|---|---|---|
| Name: | Tiotidine | |
| Description: | Alternative name from original table: (SKB10) | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.82 |
experimental value |
| -0.969 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.9338 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6046341 | US EPA CompTox Dashboard |